SCHEMBL8533382

SCHEMBL8533382

CCc1c(C(=O)N=C(N)N)ccc(C2CCCC2)c1S(C)(=O)=O

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 6/20 0.49
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8533204 0.99 SLC9A1 (0.48) SLC9A1CYP3A4CYP2C9CYP2C19
SCHEMBL8530357 0.95 SLC9A1 (0.51) SLC9A1CYP3A4CYP2C9CYP2C19
SCHEMBL8532639 0.91 SLC9A1 (0.48) SLC9A1CYP3A4CYP2C9CYP2C19
SCHEMBL8529433 0.91 SLC9A1 (0.48) SLC9A1CYP3A4CYP2C9CYP2C19
SCHEMBL8534691 0.90 SLC9A1 (0.47) SLC9A1
SCHEMBL8533787 0.86 SLC9A1 (0.49) SLC9A1CYP3A4CYP2C9CYP2C19
SCHEMBL8533174 0.85 SLC9A1 (0.47) SLC9A1
SCHEMBL8534285 0.84 SLC9A1 (0.42) SLC9A1
SCHEMBL8530907 0.84 SLC9A1 (0.46) SLC9A1
SCHEMBL8532810 0.83 SLC9A1 (0.43) SLC9A1CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5840761-A Alkylbenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-11-24 US claimed
EP-0699663-B1 Alkyl-benzoylguanidine derivatives MERCK PATENT GMBH (DE) 1998-11-04 EP claimed
EP-0699663-A1 Alkyl-benzoylguanidine derivatives MERCK PATENT GmbH (DE) 1996-03-06 EP claimed
US-5840761-A Alkylbenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-11-24 US disclosed
EP-0699663-B1 Alkyl-benzoylguanidine derivatives MERCK PATENT GMBH (DE) 1998-11-04 EP disclosed
EP-0699663-A1 Alkyl-benzoylguanidine derivatives MERCK PATENT GmbH (DE) 1996-03-06 EP disclosed